Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester
TL;DR: Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester (CAS 61544-92-1) is a chemical compound with molecular formula C12H13ClN2O4 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-diacetamido-4-chlorobenzoate
Also Known As: methyl 3,5-diacetamido-4-chlorobenzoate, Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester
| Molecular Formula | C12H13ClN2O4 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 2.0434 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0564 |
| Heavy Atoms | 19 |
| Complexity | 505.52606 |
Chemical Identifiers
| CAS Number | 61544-92-1 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC(=C1Cl)NC(=O)C)C(=O)OC |
Product Overview
Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester (CAS 61544-92-1), with molecular formula C12H13ClN2O4 and molecular weight 284.06 g/mol. IUPAC: methyl 3,5-diacetamido-4-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester
Property Insights of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester
The XLogP value of 2.0434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester?
The CAS number of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester is 61544-92-1.
What is the molecular formula of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester?
The molecular formula of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester is C12H13ClN2O4.
What is the molecular weight of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester?
The molecular weight of Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester is 284.06 g/mol.
Where can I buy Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester?
You can request a quote for Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-bis(acetylamino)-4-chloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.